National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 19April 2018
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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II.B.3. (XII.A.3.)

Experimental bond lengths

This table lists coordinate descriptions and how many of that type of coordinate are in the CCCBDB.
"=" indicates a double bond. "#" indicates a triple bond. Click on the description for a list of that type.
descriptionCount descriptionCount descriptionCount descriptionCount
rAlAl 1 rAlCl 4 rAlF 2 rAlH 5
rAlO 1 rAlP 9 rAlS 1 rArAr 1
rArH 1 rAsAs 2 rAsH 2 rBB 4
rBBr 2 rBC 2 rBCl 4 rBeBe 1
rBeCl 2 rBeF 2 rBeH 2 rBeO 1
rBeS 1 rBF 4 rBH 13 rBN 3
rBO 3 rBrBr 1 rBrI 1 rBrO 1
rBS 2 rCaBr 1 rCaH 1 rCAl 1
rCBr 15 rCC 422 rCCa 1 rCCl 53
rCF 47 rCFe 1 rCGe 1 rCH 431
rCI 3 rClAs 1 rClBr 1 rClCa 1
rClCl 4 rClGa 2 rClGe 2 rClI 1
rClO 5 rClTi 1 rCN 87 rCO 129
rCP 4 rCS 28 rCSe 5 rCSi 2
rCuCl 1 rCuCu 1 rCuF 1 rCuH 1
rCuO 1 rCZn 1 rDCl 1 rDD 1
rDF 1 rDH 1 rDO 1 rDS 1
rFAs 1 rFBr 5 rFCa 1 rFCl 8
rFF 5 rFGa 2 rFGe 4 rFI 1
rFMg 1 rFO 5 rFP 7 rFS 6
rFSc 1 rFSi 4 rGaAs 1 rGaH 1
rGeH 3 rHB 1 rHBr 4 rHC 1
rHCl 4 rHCr 1 rHeHe 1 rHF 4
rHH 1 rHI 1 rHN 2 rHTi 1
rHZn 2 rII 1 rKBr 1 rKCl 1
rKF 1 rKH 1 rKK 1 rLiBr 1
rLiCl 4 rLiF 1 rLiH 1 rLiK 1
rLiLi 1 rLiNa 1 rLiO 3 rLiS 1
rMgCl 2 rMgF 1 rMgH 4 rMgMg 1
rMgO 2 rMgS 1 rNaBr 1 rNaCl 2
rNaF 1 rNaH 1 rNaK 1 rNAl 1
rNaNa 1 rNaO 1 rNAs 2 rNBr 2
rNCl 3 rNeNe 4 rNF 7 rNH 41
rNN 15 rNO 50 rNS 6 rNSe 1
rO=Ti 1 rOBr 1 rOCa 2 rOCl 6
rOF 1 rOGa 1 rOH 43 rOK 1
rON 1 rOO 20 rOP 2 rOS 8
rOSc 1 rPBr 1 rPCl 6 rPF 1
rPGa 16 rPH 17 rPN 1 rPO 7
rPP 6 rPS 1 rSCa 1 rScH 1
rSCl 7 rSD 1 rSeH 3 rSeO 2
rSeSe 1 rSF 5 rSH 19 rSiBr 3
rSiC 3 rSiCl 7 rSiF 4 rSiH 20
rSiN 1 rSiO 1 rSiP 1 rSiS 1
rSiSi 2 rSO 13 rSS 10 rSSe 1
rSZn 1 rTiCl 1 rVO 1 rZnC 1
rZnH 3